SCHEMBL20575175

SCHEMBL20575175

CC(Nc1cc(Cl)ncn1)c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 11/20 0.47
SCN5A Q14524 11/20 0.47
SCN8A Q9UQD0 11/20 0.47
NR1I2 O75469 1/20 0.43
CYP2C9 P11712 1/20 0.43
SCN1B Q07699 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
NTRK1 P04629 6/20 0.40
HTR7 P34969 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NTRK3 Q16288 2/20 0.39
NTRK2 Q16620 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20575318 0.89 HDAC6 (0.43) SCN1ASCN5ASCN8ANR1I2SCN1B
SCHEMBL22535811 0.89 HDAC6 (0.43) SCN1ASCN5ASCN8ANR1I2SCN1B
SCHEMBL20575312 0.89 HDAC6 (0.43) SCN1ASCN5ASCN8ANR1I2SCN1B
SCHEMBL22535675 0.86 SCN1A (0.40) SCN1ASCN5ASCN8ANR1I2CYP2C9
SCHEMBL20575147 0.81 HTR7 (0.53) NTRK1HTR7
SCHEMBL20575148 0.81 HTR7 (0.53) NTRK1HTR7
SCHEMBL20575173 0.78 PRCP (0.42) HTR7
SCHEMBL20575315 0.77 SCN1A (0.39) SCN1ASCN5ASCN8AHTR7
SCHEMBL21593091 0.72 HTR7 (0.58) HTR7
SCHEMBL4375461 0.72 HTR7 (0.58) HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
US-10800760-B2 Trk inhibition NANTBIO, INC. (US) 2020-10-13 US disclosed
US-20180346450-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180346450-A1 TRK INHIBITION NTRK1, NTRK3, NTRK2 SCN1A 1866/4885SCN5A 1721/4885SCN8A 2891/4885
US-10800760-B2 Trk inhibition NTRK1, NTRK3, NTRK2 SCN1A 1866/4885SCN5A 1721/4885SCN8A 2891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.